citric acid, calcium salt
TL;DR: citric acid, calcium salt (CAS 7693-13-2) is a chemical compound with molecular formula C6H6CaO7 and molecular weight 229.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 3-carboxy-3-hydroxypentanedioate
Also Known As: Calcium citrate, Dicalcium citrate, Citric acid, calcium salt, citric acid, Monocalcium citrate
| Molecular Formula | C6H6CaO7 |
|---|---|
| Molecular Weight | 229.97 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.97394 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 7693-13-2 |
|---|---|
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Ca+2] |
| InChIKey | PFKGDYCESFRMAP-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
citric acid, calcium salt (CAS 7693-13-2), with molecular formula C6H6CaO7 and molecular weight 229.97 g/mol. IUPAC: calcium 3-carboxy-3-hydroxypentanedioate.
Chemical Property Profile of citric acid, calcium salt
Property Insights of citric acid, calcium salt
The XLogP value of -4.3 indicates that citric acid, calcium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for citric acid, calcium salt. Following Lipinski's Rule of Five, citric acid, calcium salt has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of citric acid, calcium salt?
The CAS number of citric acid, calcium salt is 7693-13-2.
What is the molecular formula of citric acid, calcium salt?
The molecular formula of citric acid, calcium salt is C6H6CaO7.
What is the molecular weight of citric acid, calcium salt?
The molecular weight of citric acid, calcium salt is 229.97 g/mol.
Where can I buy citric acid, calcium salt?
You can request a quote for citric acid, calcium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for citric acid, calcium salt?
Yes, KEHONG BIO provides custom synthesis services for citric acid, calcium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.